1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-(3,4,6,7,8,9-hexadeuteriodibenzofuran-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole

C45H27N5O — CID 164847685

IUPAC1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-(3,4,6,7,8,9-hexadeuteriodibenzofuran-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3cc4c(oc5c([2H])c([2H])c([2H])c([2H])c54)c([2H])c3[2H])nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c5c43)n2)c([2H])c1[2H]
InChIInChI=1S/C45H27N5O/c1-3-13-28(14-4-1)43-46-44(29-23-26-40-36(27-29)33-19-9-12-22-39(33)51-40)48-45(47-43)50-38-21-11-8-18-32(38)35-25-24-34-31-17-7-10-20-37(31)49(41(34)42(35)50)30-15-5-2-6-16-30/h1-27H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D
InChIKeyCGQMLIFUIQPSPT-JDLHVYKBSA-N
MW679.90 g/mol
LogP11.30
Rot. Bonds4

About 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-(3,4,6,7,8,9-hexadeuteriodibenzofuran-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole

1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-(3,4,6,7,8,9-hexadeuteriodibenzofuran-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole (PubChem CID 164847685) has the molecular formula C45H27N5O and a molecular weight of 679.90 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-(3,4,6,7,8,9-hexadeuteriodibenzofuran-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-(3,4,6,7,8,9-hexadeuteriodibenzofuran-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole
PubChem CID164847685
Molecular FormulaC45H27N5O
Molecular Weight679.90 g/mol
Exact Mass679.38
IUPAC Name1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-(3,4,6,7,8,9-hexadeuteriodibenzofuran-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3cc4c(oc5c([2H])c([2H])c([2H])c([2H])c54)c([2H])c3[2H])nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c5c43)n2)c([2H])c1[2H]
InChIInChI=1S/C45H27N5O/c1-3-13-28(14-4-1)43-46-44(29-23-26-40-36(27-29)33-19-9-12-22-39(33)51-40)48-45(47-43)50-38-21-11-8-18-32(38)35-25-24-34-31-17-7-10-20-37(31)49(41(34)42(35)50)30-15-5-2-6-16-30/h1-27H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D
InChIKeyCGQMLIFUIQPSPT-JDLHVYKBSA-N
XLogP11.30
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.90
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-(3,4,6,7,8,9-hexadeuteriodibenzofuran-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole with MolForge

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Related Compounds

1,2,3,4,7,8,9,10-octadeuterio-12-[4-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole
CID 162425013
1,2,3,4,7,8,9,10-octadeuterio-12-[4-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;1,2,3,4,7,8,9,10-octadeuterio-12-[4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole;1,2,3,4,7,8,9,10-octadeuterio-12-[4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole
CID 163601562
9-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 168832490
1,2,3,4,5,6,7,8,9,10-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 172513397
12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)indolo[2,3-a]carbazole
CID 172513324
2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,6-tetradeuterio-5-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)phenyl]carbazole
CID 171438061
1,2,3,4,5,6,7,8,9,10-decadeuterio-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]indolo[2,3-a]carbazole
CID 172513358
1,2,3,4,5,6,8-heptadeuterio-7-[4-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 172519768
1,2,3,4,7,8,9,10-octadeuterio-12-[4-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole
CID 162424890
1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[2,3-a]carbazole
CID 171461531
5,6-dideuterio-12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-11-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[2,3-a]carbazole
CID 171752177
1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole
CID 177098134

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-(3,4,6,7,8,9-hexadeuteriodibenzofuran-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole?
The IUPAC name of 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-(3,4,6,7,8,9-hexadeuteriodibenzofuran-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole (CID 164847685) is 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-(3,4,6,7,8,9-hexadeuteriodibenzofuran-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-(3,4,6,7,8,9-hexadeuteriodibenzofuran-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole?
The canonical SMILES for 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-(3,4,6,7,8,9-hexadeuteriodibenzofuran-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3cc4c(oc5c([2H])c([2H])c([2H])c([2H])c54)c([2H])c3[2H])nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c5c43)n2)c([2H])c1[2H].
What is the InChIKey of 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-(3,4,6,7,8,9-hexadeuteriodibenzofuran-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole?
The InChIKey is CGQMLIFUIQPSPT-JDLHVYKBSA-N. The full InChI is InChI=1S/C45H27N5O/c1-3-13-28(14-4-1)43-46-44(29-23-26-40-36(27-29)33-19-9-12-22-39(33)51-40)48-45(47-43)50-38-21-11-8-18-32(38)35-25-24-34-31-17-7-10-20-37(31)49(41(34)42(35)50)30-15-5-2-6-16-30/h1-27H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D.
What are the key properties of 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-(3,4,6,7,8,9-hexadeuteriodibenzofuran-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole?
1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-(3,4,6,7,8,9-hexadeuteriodibenzofuran-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole has a molecular weight of 679.90 g/mol, XLogP of 11.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-(3,4,6,7,8,9-hexadeuteriodibenzofuran-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 164847685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).